SCHEMBL5387948

SCHEMBL5387948

COc1cc(COc2nn(Cc3ccc(Oc4ccccc4)cc3)cc2C(=O)O)ccc1OCc1nc(-c2ccco2)oc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.48
TSHR P16473 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 3/20 0.41
HSD17B10 Q99714 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
LMNA P02545 3/20 0.40
ALOX15 P16050 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
KMT2A Q03164 2/20 0.39
PPARA Q07869 2/20 0.38
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
TP53 P04637 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5384879 0.95 PPARG (0.46) PPARGTSHRSMN1; SMN2MAPTKDM4E
SCHEMBL4854552 0.95 PPARG (0.51) PPARGTSHRSMN1; SMN2MAPTKDM4E
SCHEMBL5376853 0.94 PPARG (0.45) PPARGTSHRSMN1; SMN2MAPTKDM4E
SCHEMBL4851674 0.91 PPARG (0.46) PPARGTSHRSMN1; SMN2MAPTKDM4E
SCHEMBL4852788 0.91 PPARG (0.49) PPARGTSHRSMN1; SMN2MAPTKDM4E
SCHEMBL5429099 0.91 MAPT (0.46) PPARGSMN1; SMN2MAPTKMT2APPARA
SCHEMBL4852615 0.90 PPARG (0.49) PPARGTSHRSMN1; SMN2MAPTKDM4E
SCHEMBL5384875 0.90 PPARG (0.45) PPARGTSHRSMN1; SMN2MAPTKDM4E
SCHEMBL4847886 0.89 PPARG (0.48) PPARGTSHRSMN1; SMN2MAPTKDM4E
SCHEMBL4852279 0.88 PPARG (0.42) PPARGTSHRSMN1; SMN2MAPTKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7179823-B1 5-membered n-heterocyclic compounds with hypoglycemic and hypolipidemic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-20 US disclosed
EP-1457490-A1 5-membered N-heterocyclic compounds with hypoglycemic and hypolipidemic activity Takeda Chemical Industries, Ltd. (JP) 2004-09-15 EP disclosed
EP-1228067-B1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-07-14 EP disclosed
EP-1228067-A1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGYLCEMIC AND HYPOLIPIDEMIC ACTIVITY Takeda Chemical Industries, Ltd. (JP) 2002-08-07 EP disclosed
WO-2001038325-A1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-31 WO disclosed